(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide

C11H20N2O — CID 103838457

IUPAC(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-9(11(14)12-2)13-8-10-6-4-3-5-7-10/h3-4,9-10,13H,5-8H2,1-2H3,(H,12,14)/t9-,10?/m1/s1
InChIKeyYSEUDMVMHQWPNQ-YHMJZVADSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds4

About (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide

(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide (PubChem CID 103838457) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
PubChem CID103838457
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-9(11(14)12-2)13-8-10-6-4-3-5-7-10/h3-4,9-10,13H,5-8H2,1-2H3,(H,12,14)/t9-,10?/m1/s1
InChIKeyYSEUDMVMHQWPNQ-YHMJZVADSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
CID 43750476
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
CID 83041207
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
CID 43692145
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide?
The IUPAC name of (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide (CID 103838457) is (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide?
The canonical SMILES for (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide is CNC(=O)[C@@H](C)NCC1CC=CCC1.
What is the InChIKey of (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide?
The InChIKey is YSEUDMVMHQWPNQ-YHMJZVADSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(11(14)12-2)13-8-10-6-4-3-5-7-10/h3-4,9-10,13H,5-8H2,1-2H3,(H,12,14)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide?
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide is sourced from PubChem (CID 103838457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).